CID 55262715

N,4-dimethyl-1,2,5-oxadiazol-3-amine

Structural Information

Molecular Formula
C4H7N3O
SMILES
CC1=NON=C1NC
InChI
InChI=1S/C4H7N3O/c1-3-4(5-2)7-8-6-3/h1-2H3,(H,5,7)
InChIKey
HNXYWYOVPHLAQF-UHFFFAOYSA-N
Compound name
N,4-dimethyl-1,2,5-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

113.058914 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 118.9
[M+Na]+ 136.04813 128.5
[M-H]- 112.05164 121.1
[M+NH4]+ 131.09274 139.4
[M+K]+ 152.02207 129.2
[M+H-H2O]+ 96.056174 112.2
[M+HCOO]- 158.05712 143.5
[M+CH3COO]- 172.07276 169.5
[M+Na-2H]- 134.03358 127.7
[M]+ 113.05837 120.3
[M]- 113.05946 120.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe